Information card for entry 2243271

Structure parameters

• Chemical name: 5-Bromo-1,3-di-<i>tert</i>-butyl-2-[(trimethylsilyl)oxy]benzene
• Formula: C17 H29 Br O Si
• Calculated formula: C17 H29 Br O Si
• SMILES: Brc1cc(c(O[Si](C)(C)C)c(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Bulky 2,6-disubstituted aryl siloxanes and a disilanamine
• Authors of publication: Marszaukowski, Flavia; Wohnrath, Karen; Boeré, René T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 3
• Pages of publication: 318 - 323
• a: 13.0955 ± 0.0001 Å
• b: 15.3457 ± 0.0002 Å
• c: 9.0449 ± 0.0001 Å
• α: 90°
• β: 94.617 ± 0.001°
• γ: 90°
• Cell volume: 1811.76 ± 0.03 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes